Modeling of electrochemical double layer in thermodynamic non-equilibrium (Englisch)

Nationallizenz
In: Phyical Chemitry Chemical Phyic   ;  17 ,  40  ;  27176-27194  ;  2015

Wie erhalte ich diesen Titel?

Download
Kommerziell Vergütung an den Verlag: 52,50 € Grundgebühr: 4,00 € Gesamtpreis: 56,50 €
Akademisch Vergütung an den Verlag: 52,50 € Grundgebühr: 2,00 € Gesamtpreis: 54,50 €

We consider the contact between an electrolyte and a solid electrode. At first we formulate a thermodynamic consistent model that resolves boundary layers at interfaces. The model includes charge transport, diffusion, chemical reactions, viscosity, elasticity and polarization under isothermal conditions. There is a coupling between these phenomena that particularly involves the local pressure in the electrolyte. Therefore the momentum balance is of major importance for the correct description of the boundary layers. The width of the boundary layers is typically very small compared to the macroscopic dimensions of the system. In the second step we thus apply the method of asymptotic analysis to derive a simpler reduced bulk model that already incorporates the electrochemical properties of the double layers into a set of new boundary conditions. With the reduced model, we analyze the double layer capacitance for a metal–electrolyte interface.

Inhaltsverzeichnis – Band 17, Ausgabe 40

Zeige alle Jahrgänge und Ausgaben

Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.

26485
Front cover
| 2015
26486
Inside front cover
| 2015
26487
Contents list
| 2015
26509
Themed issue on “Organic field-effect transistors: interfacial phenomena and electronic properties”
Krishnamoorthy, K. / Facchetti, Antonio F. / Hu, Wenping / Bao, Zhenan | 2015
26512
Use of heteroaromatic spacers in isoindigo-benzothiadiazole polymers for ambipolar charge transport
Kim, Gyoungsik / Han, A-Reum / Lee, Hae Rang / Oh, Joon Hak / Yang, Changduk | 2014
26519
An asymmetric naphthalimide derivative for n-channel organic field-effect transistors
Wang, Zongrui / Zhao, Jianfeng / Dong, Huanli / Qiu, Ge / Zhang, Qichun / Hu, Wenping | 2015
26525
Controlled integration of oligo- and polythiophenes at the molecular scale
Colella, Nicholas S. / Zhang, Lei / McCarthy-Ward, Thoma / Mannsfeld, Stefan C. B. / Winter, H. Henning / Heeney, Martin / Watkins, James J. / Briseno, Alejandro L. | 2014
26530
Performance enhancement of poly(3-hexylthiophene-2,5-diyl) based field effect transistors through surfactant treatment of the poly(vinyl alcohol) gate insulator surface
Nawaz, Ali / Cruz-Cruz, Isidro / Rodrigues, Rafael / Hümmelgen, Ivo A. | 2014
26535
Experimental and numerical investigation of contact-area-limited doping for top-contact pentacene thin-film transistors with Schottky contact
Noda, Kei / Wada, Yasuo / Toyabe, Toru | 2014
26541
Single-displacement controlled spontaneous electrolysis towards CuTCNQ microribbon electrodes in organic single-crystal transistors
He, Liangfu / Ji, Zhuoyu / Zhen, Yonggang / Liu, Jie / Yang, Fangxu / Zhao, Qiang / Dong, Huanli / Hu, Wenping | 2015
26545
Organic metal engineering for enhanced field-effect transistor performance
Pfattner, Raphael / Rovira, Concepció / Mas-Torrent, Marta | 2014
26553
Development of high-performance printed organic field-effect transistors and integrated circuits
Xu, Yong / Liu, Chuan / Khim, Dongyoon / Noh, Yong-Young | 2014
26575
Two-dimensional ultrafast vibrational spectroscopy of azides in ionic liquids reveals solute-specific solvation
Dutta, Samrat / Ren, Zhe / Brinzer, Thoma / Garrett-Roe, Sean | 2015
26580
Bulk heterojunction organic solar cells based on carbazole–BODIPY conjugate small molecules as donors with high open circuit voltage
Jadhav, Thaksen / Misra, Rajneesh / Biswas, S. / Sharma, Ganesh D. | 2015
26589
Superhalogens beget superhalogens: a case study of (BO2)n oligomers
Kandalam, Anil K. / Kiran, Boggavarapu / Jena, P. / Pietsch, S. / Ganteför, G. | 2015
26594
NO adsorption and diffusion on hydroxylated rutile TiO2(110)
Yu, Yan-Yan / Diebold, Ulrike / Gong, Xue-Qing | 2015
26599
Insights into colour-tuning of chlorophyll optical response in green plants
Jornet-Somoza, Joaquim / Alberdi-Rodriguez, Joseba / Milne, Bruce F. / Andrade, Xavier / Marques, Miguel A. L. / Nogueira, Fernando / Oliveira, Micael J. T. / Stewart, James J. P. / Rubio, Angel | 2015
26607
Corrole–ferrocene and corrole–anthraquinone dyads: synthesis, spectroscopy and photochemistry
Kandhadi, Jaipal / Yeduru, Venkatesh / Bangal, Prakriti R. / Giribabu, Lingamallu | 2015
26621
Near surface properties of mixtures of propylammonium nitrate with n-alkanols 1. Nanostructure
Elbourne, Aaron / Cronshaw, Samuel / Voïtchovsky, Kislon / Warr, Gregory G. / Atkin, Rob | 2015
26629
Near surface properties of mixtures of propylammonium nitrate with n-alkanols 2. Nanotribology and fluid dynamics
Sweeney, Jame / Webber, Grant B. / Atkin, Rob | 2015
26638
Tunable photoluminescence and magnetic properties of Dy3+ and Eu3+ doped GdVO4 multifunctional phosphors
Liu, Yanxia / Liu, Guixia / Dong, Xiangting / Wang, Jinxian / Yu, Wensheng | 2015
26645
A comparison of ab initio quantum-mechanical and experimental D0 binding energies of eleven H-bonded and eleven dispersion-bound complexes
Haldar, Susanta / Gnanasekaran, Ramachandran / Hobza, Pavel | 2015
26653
A solution-processed bathocuproine cathode interfacial layer for high-performance bromine–iodine perovskite solar cells
Yuan, Da-Xing / Yuan, Xiao-Dong / Xu, Qing-Yang / Xu, Mei-Feng / Shi, Xiao-Bo / Wang, Zhao-Kui / Liao, Liang-Sheng | 2015
26659
Time-resolved photoionization spectroscopy of mixed Rydberg-valence states: indole case study
Zawadzki, Magdalena M. / Thompson, James O. F. / Burgess, Emma A. / Paterson, Martin J. / Townsend, Dave | 2015
26670
Mechanisms of SN2 reactions: insights from a nearside/farside analysis
Hennig, Carsten / Schmatz, Stefan | 2015
26677
Rational design of D–A1–D–A2 conjugated polymers with superior spectral coverage
Hedström, Svante / Tao, Qiang / Wang, Ergang / Persson, Petter | 2015
26690
Ti/ZnO–MxOy composites (M = Al, Cr, Fe, Ce): synthesis, characterization and application as highly efficient photocatalysts for hexachlorobenzene degradation
Xia, Shengjie / Shao, Mengmeng / Zhou, Xiaobo / Pan, Guoxiang / Ni, Zheming | 2015
26703
Theoretical studies on the carrier tunability of oxidized oligothiophenes
Pramanik, Anup / Sarkar, Pranab | 2015
26710
Toward the design of alkynylimidazole fluorophores: computational and experimental characterization of spectroscopic features in solution and in poly(methyl methacrylate)
Barone, Vincenzo / Bellina, Fabio / Biczysko, Malgorzata / Bloino, Julien / Fornaro, Teresa / Latouche, Camille / Lessi, Marco / Marianetti, Giulia / Minei, Pierpaolo / Panattoni, Alessandro et al. | 2015
26724
Sol–gel transition accelerated by the co-assembly of two components in supramolecular hydrogels
Matsumoto, Keigo / Shundo, Atsuomi / Ohno, Masashi / Saruhashi, Kowichiro / Miyachi, Nobuhide / Tsuruzoe, Nobutomo / Tanaka, Keiji | 2015
26731
Laser cooling of BeCl and BeBr molecules in an ab initio method
Wan, Ming-jie / Shao, Ju-xiang / Huang, Duo-hui / Jin, Cheng-guo / Yu, You / Wang, Fan-hou | 2015
26740
A novel surface modification scheme for ITO nanocrystals by acetylene: a combined experimental and DFT study
Chen, Z. X. / Xi, Y. J. / Huang, L. / Li, W. C. / Li, R. / Xu, G. Q. / Cheng, H. S. | 2015
26745
Cluter-continuum quaichemical theory calculation of the lithium ion olvation in water acetonitrile and dimethyl ulfoxide an abolute ingle-ion olvation free energy cale
Carvalho, Nathalia F. / Pliego, Joefredo R. | 2015
26745
Cluster-continuum quasichemical theory calculation of the lithium ion solvation in water, acetonitrile and dimethyl sulfoxide: an absolute single-ion solvation free energy scale
Pliego, Josefredo R / Carvalho, Nathalia F | 2015
26756
High surface area zincosilicates as efficient catalysts for the synthesis of ethyl lactate: an in-depth structural investigation
Collard, Xavier / Louette, Pierre / Fiorilli, Sonia / Aprile, Carmela | 2015
26766
Influence of gas packing and orientation on FTIR activity for CO chemisorption to the Cu paddlewheel
Wang, Cheng-Yu / Ray, Paramita / Gong, Qihan / Zhao, Yonggang / Li, Jing / Lueking, Angela D. | 2015
26777
Improved performances of PCDTBT:PC71BM BHJ solar cells through incorporating small molecule donor
Zhu, Youqin / Yang, Lin / Zhao, Suling / Huang, Yan / Xu, Zheng / Yang, Qianqian / Wang, Peng / Li, Yang / Xu, Xurong | 2015
26783
Controllable photophysical properties and self-assembly of siloxane-poly(amidoamine) dendrimers
Lu, Hang / Zhang, Jie / Feng, Shengyu | 2015
26790
A rapid conductometric sensor for the analysis of cyanide using imidazole based receptor
Paul, Anirban / Perween, Mosarrat / Saha, Sukdeb / Srivastava, Divesh N. / Das, Amitava | 2015
26797
The (0001) surfaces of a-Fe2O3 nanocrystals are preferentially activated for water oxidation by Ni doping
Zhao, P. / Wu, F. / Kronawitter, C. / Chen, Z. / Yao, N. / Koel, B. | 2015
26797
The (0001) surfaces of α-Fe2O3 nanocrystals are preferentially activated for water oxidation by Ni doping
Zhao, Peng / Wu, Fan / Kronawitter, Coleman X. / Chen, Zhu / Yao, Nan / Koel, Bruce E. | 2015
26804
Rose Bengal incorporated in mesostructured silica nanoparticles: structural characterization, theoretical modeling and singlet oxygen delivery
Martins Estevão, B. / Cucinotta, F. / Hioka, N. / Cossi, M. / Argeri, M. / Paul, G. / Marchese, L. / Gianotti, E. | 2015
26813
When ruthenia met titania: achieving extraordinary catalytic activity at low temperature by nanostructuring of oxides
Graciani, J. / Yang, F. / Evans, J. / Vidal, A. B. / Stacchiola, D. / Rodriguez, J. A. / Sanz, J. F. | 2015
26819
Challenges in preparing, preserving and detecting para-water in bulk: overcoming proton exchange and other hurdles
Mammoli, Daniele / Salvi, Nicola / Milani, Jona / Buratto, Roberto / Bornet, Aurélien / Sehgal, Akansha Ashvani / Canet, Estel / Pelupessy, Philippe / Carnevale, Diego / Jannin, Sami et al. | 2015
26828
Optical spectra of CdMnSe of nano-ferro- and antiferro-magnets
Proshchenko, Vitaly / Dahnovsky, Yuri | 2015
26833
Effects of drying temperature and ethanol concentration on bipolar switching characteristics of natural Aloe vera-based memory devices
Lim, Zhe Xi / Cheong, Kuan Yew | 2015
26854
Excess electron reactivity in amino acid aqueous solution revealed by ab initio molecular dynamics simulation: anion-centered localization and anion-relayed electron transfer dissociation
Wu, Xiuxiu / Gao, Liang / Liu, Jinxiang / Yang, Hongfang / Wang, Shoushan / Bu, Yuxiang | 2015
26864
The effect of surface modification by reduced graphene oxide on the electrocatalytic activity of nickel towards the hydrogen evolution reaction
Chanda, Debabrata / Hnát, Jaromír / Dobrota, Ana S. / Pašti, Igor A. / Paidar, Martin / Bouzek, Karel | 2015
26875
Assessment of DFT methods for studying acid gas capture by ionic liquids
García, Gregorio / Atilhan, Mert / Aparicio, Santiago | 2015
26892
Surface chemistry of copper metal and copper oxide atomic layer deposition from copper(ii) acetylacetonate: a combined first-principles and reactive molecular dynamics study
Hu, Xiao / Schuster, Jörg / Schulz, Stefan E. / Gessner, Thoma | 2015
26903
π-Conjugated diimidazolium salts: rigid structure to obtain organized materials
Vitale, Paola / D'Anna, Francesca / Ferrante, Francesco / Rizzo, Carla / Noto, Renato | 2015
26903
p-Conjugated diimidazolium salts: rigid structure to obtain organized materials
Vitale, P. / D'Anna, F. / Ferrante, F. / Rizzo, C. / Noto, R. | 2015
26918
New models for predicting thermophysical properties of ionic liquid mixtures
Huang, Ying / Zhang, Xiangping / Zhao, Yongsheng / Zeng, Shaojuan / Dong, Haifeng / Zhang, Suojiang | 2015
26930
The origin of enhanced optical absorption of the BiFeO3/ZnO heterojunction in the visible and terahertz regions
Feng, Hong-Jian / Yang, Kang / Deng, Wan / Li, Mengmeng / Wang, Mingzi / Duan, Bi / Liu, Feng / Tian, Jinshou / Guo, Xiaohui | 2015
26937
Grafting trimethylaluminum and its halogen derivatives on silica: general trends for 27Al SS-NMR response from first principles calculations
Kerber, Rachel Nathaniel / Kerber, Torsten / Rozanska, Xavier / Delbecq, Françoise / Sautet, Philippe | 2015
26946
Excluding hyperconjugation from the Z conformational preference and investigating its origin: formic acid and beyond
Ferro-Costas, David / Mosquera, Ricardo A. | 2015
26955
Efficient approach to include molecular polarizations using charge and atom dipole response kernels to calculate free energy gradients in the QM/MM scheme
Asada, Toshio / Ando, Kanta / Sakurai, Koji / Koseki, Shiro / Nagaoka, Masataka | 2015
26955
Efficient approach to include molecular polarization uing charge and atom dipole repone kernel to calculate free energy gradient in the QM/MM cheme
Asada, Tohio / Ando, Kanta / Sakurai, Koji / Koseki, Shiro / Nagaoka, Maataka | 2015
26969
The effect of Gd on trityl-based dynamic nuclear polarisation in solids
Ravera, Enrico / Shimon, Daphna / Feintuch, Akiva / Goldfarb, Daniella / Vega, Shimon / Flori, Alessandra / Luchinat, Claudio / Menichetti, Luca / Parigi, Giacomo | 2015
26979
The effect of substrate and external strain on electronic structures of stanene film
Wang, D. / Chen, L. / Wang, X. / Cui, G. / Zhang, P. | 2015
26979
The effect of ubtrate and external train on electronic tructure of tanene film
Wang, Dongchao / Chen, Li / Wang, Xiaoli / Cui, Guangliang / Zhang, Pinhua | 2015
26988
Ce K edge XAS of ceria-based redox materials under realistic conditions for the two-step solar thermochemical dissociation of water and/or CO2
Rothensteiner, Matthäu / Sala, Simone / Bonk, Alexander / Vogt, Ulrich / Emerich, Hermann / van Bokhoven, Jeroen A. | 2015
26997
Impact electrochemistry: colloidal metal sulfide detection by cathodic particle coulometry
Lim, Chee Shan / Pumera, Martin | 2015
27001
Water-assisted self-photoredox of 2-(1-hydroxyethyl)-9,10-anthraquinone through a triplet excited state intra-molecular proton transfer pathway
Dai, Jingze / Han, Juan / Chen, Xuebo / Fang, Weihai / Ma, Jiani / Phillips, David Lee | 2015
27011
Kinetic modeling of the adsorption and desorption of CO2 on α-Fe2O3
Breyer, Christine / Reichert, Dirk / Seidel, Juergen / Hüttl, Regina / Mertens, Florian / Kureti, Sven | 2015
27011
Kinetic modeling of the adsorption and desorption of CO2 on a-Fe2O3
Breyer, C. / Reichert, D. / Seidel, J. / Huttl, R. / Mertens, F. / Kureti, S. | 2015
27019
Low-temperature scanning tunneling microscopy study on the electronic properties of a double-decker DyPc2 molecule at the surface
Zhang, Yajie / Liao, Peilin / Kan, Jinglan / Yin, Cen / Li, Na / Liu, Jing / Chen, Qiwei / Wang, Yongfeng / Chen, Wei / Xu, Guo Qin et al. | 2015
27027
Ab initio investigation of the aqueous solvation of the nitrate ion
Pruitt, Spencer R. / Brorsen, Kurt R. / Gordon, Mark S. | 2015
27035
Non-covalent intermolecular carbon–carbon interactions in polyynes
Remya, Karunakaran / Suresh, Cherumuttathu H. | 2015
27045
Dynamics of polyzwitterions in salt-free and salt solutions
Cao, Zhonglin / Zhang, Guangzhao | 2015
27052
Density functional reactivity theory study of SN2 reactions from the information-theoretic perspective
Wu, Zemin / Rong, Chunying / Lu, Tian / Ayers, Paul W. / Liu, Shubin | 2015
27062
Mechanism of action of ethylene sulfite and vinylene carbonate electrolyte additives in LiNi1/3Mn1/3Co1/3O2/graphite pouch cells: electrochemical, GC-MS and XPS analysis
Madec, L. / Petibon, R. / Tasaki, K. / Xia, J. / Sun, J.-P. / Hill, I. G. / Dahn, J. R. | 2015
27077
Control of localized surface plasmon resonance energy in monolayer structures of gold and silver nanoparticles
Yokota, Hiroki / Taniguchi, Taichi / Watanabe, Taichi / Kim, DaeGwi | 2015
27082
The effect of lithium salt doping on the nanostructure of ionic liquids
Aguilera, Lui / Völkner, Johanne / Labrador, Ana / Matic, Aleksandar | 2015
27088
Tuning the Schottky barrier height of the Pd–MoS2 contact by different strains
Liu, Biao / Wu, Li-Juan / Zhao, Yu-Qing / Wang, Ling-Zhi / Cai, Meng-Qiu | 2015
27094
How to make a porphyrin flip: dynamics of asymmetric porphyrin oligomers
Shang, Cheng / Philpott, Julian M. / Bampos, Nick / Barker, Paul D. / Wales, David J. | 2015
27103
A method to calculate redox potentials relative to the normal hydrogen electrode in nonaqueous solution by using density functional theory-based molecular dynamics
Jono, Ryota / Tateyama, Yoshitaka / Yamashita, Koichi | 2015
27109
In situ synthesis of hierarchical CoFe2O4 nanoclusters/graphene aerogels and their high performance for lithium-ion batteries
Wang, Beibei / Wang, Gang / Lv, Zhengyuan / Wang, Hui | 2015
27118
Electronic structure and excited state dynamics in a dicyanovinyl-substituted oligothiophene on Au(111)
Bogner, Lea / Yang, Zechao / Corso, Martina / Fitzner, Roland / Bäuerle, Peter / Franke, Katharina J. / Pascual, José Ignacio / Tegeder, Petra | 2015
27127
The atomic-scale nucleation mechanism of NiTi metallic glasses upon isothermal annealing studied via molecular dynamics simulations
Li, Yang / Li, JiaHao / Liu, BaiXin | 2015
27136
Mechanical control of magnetism in oxygen deficient perovskite SrTiO3
Zhang, Yajun / Wang, Jie / Sahoo, MPK / Shimada, Takahiro / Kitamura, Takayuki | 2015
27145
Probing hydrogen bonding orbitals: resonant inelastic soft X-ray scattering of aqueous NH3
Weinhardt, L. / Ertan, E. / Iannuzzi, M. / Weigand, M. / Fuchs, O. / Bär, M. / Blum, M. / Denlinger, J. D. / Yang, W. / Umbach, E. et al. | 2015
27154
Probing the interaction of Rh, Co and bimetallic Rh–Co nanoparticles with the CeO2 support: catalytic materials for alternative energy generation
Varga, E. / Pusztai, P. / Óvári, L. / Oszkó, A. / Erdőhelyi, A. / Papp, C. / Steinrück, H.-P. / Kónya, Z. / Kiss, J. | 2015
27167
Exploring the nature of the liquid–liquid transition in silicon: a non-activated transformation
Lü, Y. J. / Zhang, X. X. / Chen, M. / Jiang, Jian-Zhong | 2015
27176
Modeling of electrochemical double layer in thermodynamic non-equilibrium
Dreyer, Wolfgang / Guhlke, Clemen / Müller, Rüdiger | 2015
27176
Modeling of electrochemical double layers in thermodynamic non-equilibrium
Dreyer, W. / Guhlke, C. / Muller, R. | 2015
27195
Fluid phase interface properties of acetone, oxygen, nitrogen and their binary mixtures by molecular simulation
Eckelsbach, Stefan / Vrabec, Jadran | 2015
27204
Influence of the medium's viscosity on the kinetics of hydrogen atom self-exchange for N-hydroxy phthalimide/piperidine-N-oxyl (NHPI/PINO&z.rad;) measured by CW-ESR spectroscopy
Bächle, Josua / Goni, Freskida / Grampp, Günter | 2015
27210
The atomic and electronic structure of nitrogen- and boron-doped phosphorene
Boukhvalov, Danil W. | 2015
27217
Highly efficient exciton harvesting and charge transport in ternary blend solar cells based on wide- and low-bandgap polymers
Wang, Yanbin / Ohkita, Hideo / Benten, Hiroaki / Ito, Shinzaburo | 2015
27225
Back cover
| 2015